MDPI-ZINC03845416 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 1 0 0 0 0 0999 V2000 0.3930 0.9700 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.2760 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.7660 -0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -1.8610 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -2.3930 0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -2.4280 -0.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3240 -2.1250 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -3.9560 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -4.5280 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -4.7720 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8740 -5.2970 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -5.5780 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -5.3350 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -4.8140 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -1.9020 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6820 0.0930 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 1.6060 1.7790 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2400 1.8220 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 2.1520 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 3.6190 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 4.0240 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 5.3700 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 6.3120 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 5.9080 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 4.5610 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 2.2600 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 1.5860 2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 3.5930 1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 4.1540 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 5.6750 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 1.3380 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.7160 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 1.7430 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.0480 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.0220 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.3240 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -4.2610 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -4.5520 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -5.4870 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -5.9880 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -5.5540 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -4.6270 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -2.3800 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -2.1290 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -0.1200 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -0.3710 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 1.6160 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 2.0150 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7140 3.2880 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1100 5.6860 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 7.3640 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 6.6430 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 4.2450 3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 3.9100 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 3.7380 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 6.0960 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 5.9190 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 6.0920 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -0.4480 0.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 0.0120 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 59 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 59 60 1 0 0 0 0 M END